Geometry & MOs

Info

ID:

445554

PubChem CID:

135267990

Reduced:

SF3O4N9C25H28 (1)

Stoich.:

AB3C4D9E25F28 (1)

Weight, g/mol:

556.215821

ΔHf, kcal/mol:

-200.89

Dipole, Da:

5.27

IP(EA), eV:

 -8.38(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-[[6-[(1-acetylpyrrolidin-3-yl)amino]-2-methoxypyridin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)N1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC

DOS

IR

Vibrations